The binding sites of Iron atom in the structure of Outer Membrane Endecaheme Cytochrome Unda From Shewanella Sp. Hrcr-6 (pdb code 3ucp). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3ucp structure was solved by M.J.EDWARDS, T.A.CLARKE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:

Resolution (A)

40.9-1.8

Space group

P212121

a (A)

69.640

b (A)

106.090

c (A)

151.650

alpha (°)

90.00

beta (°)

90.00

gamma (°)

90.00

Rfactor (%)

14.4

Rfree (%)

17.7

Iron Binding Sites:

Iron binding site 1 out of 11 in 3ucp

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3ucp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His256, A: His310, A: Hec901,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His256

2.02

Fe

ND1 A:His256

4.11

Fe

CD2 A:His256

3.05

Fe

CE1 A:His256

2.98

Fe

CG A:His256

4.17

Fe

NE2 A:His310

2.00

Fe

ND1 A:His310

4.10

Fe

CD2 A:His310

3.01

Fe

CE1 A:His310

2.99

Fe

CG A:His310

4.15

Fe

C2D A:Hec901

4.27

Fe

NC A:Hec901

2.05

Fe

CHB A:Hec901

3.39

Fe

CHC A:Hec901

3.49

Fe

C3D A:Hec901

4.28

Fe

NA A:Hec901

2.03

Fe

CHA A:Hec901

3.43

Fe

C2A A:Hec901

4.28

Fe

C1D A:Hec901

3.03

Fe

C4A A:Hec901

3.03

Fe

C4B A:Hec901

3.04

Fe

C3A A:Hec901

4.25

Fe

C4C A:Hec901

3.03

Fe

C2B A:Hec901

4.23

Fe

C1C A:Hec901

3.10

Fe

C2C A:Hec901

4.31

Fe

ND A:Hec901

2.00

Fe

CHD A:Hec901

3.38

Fe

C1B A:Hec901

3.01

Fe

NB A:Hec901

1.97

Fe

FE A:Hec901

0.00

Fe

C3C A:Hec901

4.27

Fe

C3B A:Hec901

4.25

Fe

C4D A:Hec901

3.04

Fe

C1A A:Hec901

3.05

interactive model:

Iron binding site 2 out of 11 in 3ucp

Click to enlarge

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3ucp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His273, A: His287, A: Hec902,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His273

2.06

Fe

ND1 A:His273

4.12

Fe

CD2 A:His273

3.12

Fe

CE1 A:His273

2.96

Fe

CG A:His273

4.22

Fe

NE2 A:His287

2.01

Fe

ND1 A:His287

4.04

Fe

CD2 A:His287

3.16

Fe

CE1 A:His287

2.85

Fe

CG A:His287

4.21

Fe

C2D A:Hec902

4.28

Fe

NC A:Hec902

2.00

Fe

CHB A:Hec902

3.35

Fe

CHC A:Hec902

3.51

Fe

C3D A:Hec902

4.33

Fe

NA A:Hec902

2.02

Fe

CHA A:Hec902

3.53

Fe

C2A A:Hec902

4.29

Fe

C1D A:Hec902

3.01

Fe

C4A A:Hec902

3.01

Fe

C4B A:Hec902

3.10

Fe

C3A A:Hec902

4.23

Fe

C4C A:Hec902

2.97

Fe

C2B A:Hec902

4.25

Fe

C1C A:Hec902

3.10

Fe

C2C A:Hec902

4.29

Fe

ND A:Hec902

2.06

Fe

CHD A:Hec902

3.31

Fe

C1B A:Hec902

3.00

Fe

NB A:Hec902

2.04

Fe

FE A:Hec902

0.00

Fe

C3C A:Hec902

4.23

Fe

C3B A:Hec902

4.30

Fe

C4D A:Hec902

3.13

Fe

C1A A:Hec902

3.10

interactive model:

Iron binding site 3 out of 11 in 3ucp

Click to enlarge

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3ucp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His307, A: His365, A: Hec903,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His307

2.02

Fe

ND1 A:His307

4.09

Fe

CD2 A:His307

3.05

Fe

CE1 A:His307

2.97

Fe

CG A:His307

4.17

Fe

NE2 A:His365

2.00

Fe

ND1 A:His365

4.11

Fe

CD2 A:His365

2.99

Fe

CE1 A:His365

3.00

Fe

CG A:His365

4.14

Fe

C2D A:Hec903

4.33

Fe

NC A:Hec903

2.04

Fe

CHB A:Hec903

3.48

Fe

CHC A:Hec903

3.42

Fe

C3D A:Hec903

4.30

Fe

NA A:Hec903

2.06

Fe

CHA A:Hec903

3.43

Fe

C2A A:Hec903

4.28

Fe

C1D A:Hec903

3.08

Fe

C4A A:Hec903

3.08

Fe

C4B A:Hec903

3.06

Fe

C3A A:Hec903

4.29

Fe

C4C A:Hec903

3.05

Fe

C2B A:Hec903

4.29

Fe

C1C A:Hec903

3.04

Fe

C2C A:Hec903

4.25

Fe

ND A:Hec903

2.04

Fe

CHD A:Hec903

3.43

Fe

C1B A:Hec903

3.08

Fe

NB A:Hec903

2.05

Fe

FE A:Hec903

0.00

Fe

C3C A:Hec903

4.26

Fe

C3B A:Hec903

4.29

Fe

C4D A:Hec903

3.06

Fe

C1A A:Hec903

3.05

interactive model:

Iron binding site 4 out of 11 in 3ucp

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3ucp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His390, A: His460, A: Hec904,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His390

2.07

Fe

ND1 A:His390

4.14

Fe

CD2 A:His390

3.10

Fe

CE1 A:His390

3.01

Fe

CG A:His390

4.22

Fe

NE2 A:His460

2.01

Fe

ND1 A:His460

4.13

Fe

CD2 A:His460

2.99

Fe

CE1 A:His460

3.02

Fe

CG A:His460

4.14

Fe

C2D A:Hec904

4.28

Fe

NC A:Hec904

2.06

Fe

CHB A:Hec904

3.44

Fe

CHC A:Hec904

3.44

Fe

C3D A:Hec904

4.30

Fe

NA A:Hec904

2.00

Fe

CHA A:Hec904

3.49

Fe

C2A A:Hec904

4.29

Fe

C1D A:Hec904

3.02

Fe

C4A A:Hec904

3.04

Fe

C4B A:Hec904

3.05

Fe

C3A A:Hec904

4.27

Fe

C4C A:Hec904

3.06

Fe

C2B A:Hec904

4.27

Fe

C1C A:Hec904

3.06

Fe

C2C A:Hec904

4.29

Fe

ND A:Hec904

2.04

Fe

CHD A:Hec904

3.39

Fe

C1B A:Hec904

3.05

Fe

NB A:Hec904

2.04

Fe

FE A:Hec904

0.00

Fe

C3C A:Hec904

4.30

Fe

C3B A:Hec904

4.26

Fe

C4D A:Hec904

3.08

Fe

C1A A:Hec904

3.06

interactive model:

Iron binding site 5 out of 11 in 3ucp

Click to enlarge

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 3ucp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His420, A: His448, A: Hec905,

conact list:

Atom

Atom

Distance (A)

Fe

NE2 A:His420

1.91

Fe

ND1 A:His420

3.92

Fe

CD2 A:His420

3.07

Fe

CE1 A:His420

2.74

Fe

CG A:His420

4.11

Fe

NE2 A:His448

1.87

Fe

ND1 A:His448

3.95

Fe

CD2 A:His448

2.94

Fe

CE1 A:His448

2.82

Fe

CG A:His448

4.04

Fe

C2D A:Hec905

4.29

Fe

NC A:Hec905

2.03

Fe

CHB A:Hec905

3.41

Fe

CHC A:Hec905

3.45

Fe

C3D A:Hec905

4.33

Fe

NA A:Hec905

2.07

Fe

CHA A:Hec905

3.48

Fe

C2A A:Hec905

4.30

Fe

C1D A:Hec905

3.04

Fe

C4A A:Hec905

3.06

Fe

C4B A:Hec905

3.05

Fe

C3A A:Hec905

4.29

Fe

C4C A:Hec905

3.03

Fe

C2B A:Hec905

4.27

Fe

C1C A:Hec905

3.06

Fe

C2C A:Hec905

4.27

Fe

ND A:Hec905

2.05

Fe

CHD A:Hec905

3.40

Fe

C1B A:Hec905

3.03

Fe

NB A:Hec905

2.02

Fe

FE A:Hec905

0.00

Fe

C3C A:Hec905

4.26

Fe

C3B A:Hec905

4.27

Fe

C4D A:Hec905

3.09

Fe

C1A A:Hec905

3.09

interactive model:

Iron binding site 6 out of 11 in 3ucp

Click to enlarge

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Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 3ucp. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphereResidues shown as a stick model or VDW spheres: A: His657, A: His728, A: Hec906,